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GPCR

NameVasopressin V2 receptor
SpeciesSus scrofa (Pig)
GeneAVPR2
SynonymAntidiuretic hormone receptor
AVPR V2
Renal-type arginine vasopressin receptor
V2R
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMLRATTSAVPRALSWPAAPGNGSEREPLDDRDPLLARVELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATYRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGDGSGVLDCWASFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHTSLVPGPAERAGGHRGGRRAGSPREGARVSAAMAKTARMTLVIVAVYVLCWAPFFLVQLWSVWDPKAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCPRRRTPPSLRPQEESCATASSFSARDTSS
UniProtP32307
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3944
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2372280
Molecular formulaC52H79N15O10S2
IUPAC name(13S,16S,19S,22R)-N-[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide
Molecular weight1138.42
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP-0.4
SynonymsBDBM50023750
Inchi KeyPUFNUZXHMYLIEX-QCSPDKOHSA-N
Inchi IDInChI=1S/C52H79N15O10S2/c1-4-77-33-19-17-32(18-20-33)26-36-45(72)64-37(25-31-13-7-5-8-14-31)47(74)67-42(30(2)3)49(76)65-38(27-40(53)68)46(73)66-39(29-78-79-52(28-41(69)61-36)21-9-6-10-22-52)48(75)63-35(16-12-24-60-51(57)58)44(71)62-34(43(54)70)15-11-23-59-50(55)56/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,53,68)(H2,54,70)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,55,56,59)(H4,57,58,60)/t34-,35+,36-,37+,38+,39?,42+/m1/s1
PubChem CID73347164
ChEMBLCHEMBL2372280
IUPHARN/A
BindingDB50023750
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID3397986ChEMBL
Ki3.6 nMPMID3397986BindingDB

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